1-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile

C19H9F5N4O — CID 24984779

IUPAC1-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2Cc2nnc(-c3ccc(F)cc3F)o2)c1C(F)(F)F
InChIInChI=1S/C19H9F5N4O/c20-11-2-3-12(14(21)7-11)18-27-26-16(29-18)9-28-6-5-13-15(28)4-1-10(8-25)17(13)19(22,23)24/h1-7H,9H2
InChIKeyGECLINWBJLRHPV-UHFFFAOYSA-N
MW404.30 g/mol
LogP4.91
Rot. Bonds3

About 1-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile

1-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile (PubChem CID 24984779) has the molecular formula C19H9F5N4O and a molecular weight of 404.30 g/mol. Its IUPAC name is 1-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile.

Molecular Properties

Compound Name1-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile
PubChem CID24984779
Molecular FormulaC19H9F5N4O
Molecular Weight404.30 g/mol
Exact Mass404.07
IUPAC Name1-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2Cc2nnc(-c3ccc(F)cc3F)o2)c1C(F)(F)F
InChIInChI=1S/C19H9F5N4O/c20-11-2-3-12(14(21)7-11)18-27-26-16(29-18)9-28-6-5-13-15(28)4-1-10(8-25)17(13)19(22,23)24/h1-7H,9H2
InChIKeyGECLINWBJLRHPV-UHFFFAOYSA-N
XLogP4.91
TPSA67.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile?
The IUPAC name of 1-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile (CID 24984779) is 1-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile.
What is the SMILES notation for 1-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile?
The canonical SMILES for 1-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile is N#Cc1ccc2c(ccn2Cc2nnc(-c3ccc(F)cc3F)o2)c1C(F)(F)F.
What is the InChIKey of 1-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile?
The InChIKey is GECLINWBJLRHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F5N4O/c20-11-2-3-12(14(21)7-11)18-27-26-16(29-18)9-28-6-5-13-15(28)4-1-10(8-25)17(13)19(22,23)24/h1-7H,9H2.
What are the key properties of 1-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile?
1-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile has a molecular weight of 404.30 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile is sourced from PubChem (CID 24984779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).